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CID 21894801

PubChem CID
21894801
Structure
CID 21894801_small.png
Molecular Formula
Status
Non-live
Molecular Weight
371.1 g/mol
Dates
  • Create:
    2007-12-05

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 21894801.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

strontium;octadecanoate

2.1.2 InChI

InChI=1S/C18H36O2.Sr/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+2/p-1

2.1.3 InChIKey

JQVPEGNCIBRIMN-UHFFFAOYSA-M

2.1.4 SMILES

Isomeric SMILES
CCCCCCCCCCCCCCCCCC(=O)[O-].[Sr+2]

2.2 Molecular Formula

C18H35O2Sr+

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
371.1 g/mol
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
15
Property Name
Exact Mass
Property Value
371.16931761 g/mol
Property Name
Monoisotopic Mass
Property Value
371.16931761 g/mol
Property Name
Topological Polar Surface Area
Property Value
40.1A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
196
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
2
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS